4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid

C12H14N2O4 — CID 61181096

IUPAC4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(NCC1CC1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O4/c15-10-5-8(3-4-9(10)11(16)17)14-12(18)13-6-7-1-2-7/h3-5,7,15H,1-2,6H2,(H,16,17)(H2,13,14,18)
InChIKeyCURFQORURQTPCD-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.62
Rot. Bonds4

About 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid

4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid (PubChem CID 61181096) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
PubChem CID61181096
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(NCC1CC1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O4/c15-10-5-8(3-4-9(10)11(16)17)14-12(18)13-6-7-1-2-7/h3-5,7,15H,1-2,6H2,(H,16,17)(H2,13,14,18)
InChIKeyCURFQORURQTPCD-UHFFFAOYSA-N
XLogP1.62
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
5-(cyclobutylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61199881
2-bromo-5-(cyclopentylmethylcarbamoylamino)benzoic acid
CID 115296706
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
5-(cyclopropylmethylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61183183
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
5-(cyclopropylmethylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 63023487
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid (CID 61181096) is 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid is O=C(NCC1CC1)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid?
The InChIKey is CURFQORURQTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-5-8(3-4-9(10)11(16)17)14-12(18)13-6-7-1-2-7/h3-5,7,15H,1-2,6H2,(H,16,17)(H2,13,14,18).
What are the key properties of 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid?
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid has a molecular weight of 250.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 61181096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).